6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one, 2,3,8-trihydroxy-10-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-

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  • Identifiers

    CAS number
    135023-16-4

    Molecular formula
    C26H26O7

    SMILES
    CC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C(OC4=CC(=C(C=C43)O)O)C=C(C)C)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 46.46%
    Phenolic 45.58%
    Woody 33.37%
    Smoky 29.12%
    Odorless 26.89%
    Dry 25.79%
    Burnt 25.33%
    Fruity 23.37%
    Herbal 23.13%
    Sweet 23.0%

     

    Flavor
    Bitter 91.45%
    Bland 19.9%
    Cedarleaf 19.79%
    Parsley 19.72%
    Lovage 19.26%
    Heather 17.97%
    Sweet-like 17.97%
    Ripe apricot 17.87%
    Broom 17.83%
    Red fruit 17.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    10.03 (weak base)

    Molecular weight
    450.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1223°C

    Melting point expt.

    • 229 - 231 °C

    Flash point

    • 266.48 ˚C est.

  • Synonyms

    • 135023-16-4
    • 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one, 2,3,8-trihydroxy-10-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-
    • 6H,7H-(1)Benzopyrano(4,3-b)(1)benzopyran-7-one, 2,3,8-trihydroxy-10-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-
    • RefChem:309470
    • Dihydrocycloartomunin
    • SCHEMBL27542936
    • CHEBI:171744
    • DTXSID501103929
    • LMPK12110931
    • 2,3,8-Trihydroxy-10-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one, 9CI
    • 2,3,8-trihydroxy-10-methoxy-11-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
    • 135023-16-4

  • Applications

    Chemical name: 6H,7H-[1]Benzopyrano[4,3-b][1]benzopyran-7-one, 2,3,8-trihydroxy-10-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-; CAS number: 135023-16-4. The practical applications of this compound are primarily as an organic synthesis intermediate for chemical and pharmaceutical derivatives; it may be considered in cosmetics and personal care as a matrix for antioxidant-derived compounds or fragrance components; it can function as a pigment or photostabilizing additive for coatings, paints, and inks; it is studied as a scaffold for fragrant compounds and derivatives in fragrance research; it may serve as an additive for polymers and plastics to improve oxidative stability and processing; it is also encountered in agricultural chemical research as a lead scaffold for bioactive compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.94
    methanol 3.45
    isopropanol 2.75
    water 0.01
    ethyl acetate 10.0
    n-propanol 4.33
    acetone 15.39
    n-butanol 3.09
    acetonitrile 5.71
    DMF 53.41
    toluene 2.98
    isobutanol 3.16
    1,4-dioxane 17.47
    methyl acetate 16.83
    THF 51.24
    2-butanone 19.75
    n-pentanol 3.13
    sec-butanol 3.3
    n-hexane 0.11
    ethylene glycol 2.94
    NMP 108.12
    cyclohexane 0.18
    DMSO 58.16
    n-butyl acetate 9.55
    n-octanol 1.87
    chloroform 35.53
    n-propyl acetate 9.36
    acetic acid 37.14
    dichloromethane 24.71
    cyclohexanone 29.28
    propylene glycol 5.89
    isopropyl acetate 7.13
    DMAc 102.07
    2-ethoxyethanol 14.45
    isopentanol 2.94
    n-heptane 0.12
    ethyl formate 8.17
    1,2-dichloroethane 14.39
    n-hexanol 2.6
    2-methoxyethanol 23.8
    isobutyl acetate 6.91
    tetrachloromethane 2.0
    n-pentyl acetate 8.21
    transcutol 48.23
    n-heptanol 2.46
    ethylbenzene 1.51
    MIBK 6.73
    2-propoxyethanol 23.62
    tert-butanol 3.94
    MTBE 3.29
    2-butoxyethanol 14.49
    propionic acid 15.99
    o-xylene 2.07
    formic acid 10.41
    diethyl ether 2.93
    m-xylene 1.82
    p-xylene 2.65
    chlorobenzene 5.75
    dimethyl carbonate 19.3
    n-octane 0.07
    formamide 13.32
    cyclopentanone 53.66
    2-pentanone 10.42
    anisole 5.95
    cyclopentyl methyl ether 10.71
    gamma-butyrolactone 69.51
    1-methoxy-2-propanol 20.76
    pyridine 22.73
    3-pentanone 10.38
    furfural 44.93
    n-dodecane 0.09
    diethylene glycol 20.15
    diisopropyl ether 0.9
    tert-amyl alcohol 4.06
    acetylacetone 20.97
    n-hexadecane 0.11
    acetophenone 11.83
    methyl propionate 17.85
    isopentyl acetate 9.88
    trichloroethylene 55.6
    n-nonanol 2.16
    cyclohexanol 4.42
    benzyl alcohol 8.42
    2-ethylhexanol 2.23
    isooctanol 2.44
    dipropyl ether 3.44
    1,2-dichlorobenzene 6.34
    ethyl lactate 10.77
    propylene carbonate 28.78
    n-methylformamide 18.38
    2-pentanol 1.94
    n-pentane 0.09
    1-propoxy-2-propanol 16.32
    1-methoxy-2-propyl acetate 21.7
    2-(2-methoxypropoxy) propanol 18.96
    mesitylene 0.95
    ε-caprolactone 30.69
    p-cymene 1.65
    epichlorohydrin 66.43
    1,1,1-trichloroethane 12.72
    2-aminoethanol 5.15
    morpholine-4-carbaldehyde 70.91
    sulfolane 112.52
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 17.38
    n-hexyl acetate 7.8
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 21.09
    sec-butyl acetate 6.63
    tert-butyl acetate 8.4
    decalin 0.17
    glycerin 14.94
    diglyme 37.39
    acrylic acid 22.25
    isopropyl myristate 3.46
    n-butyric acid 14.81
    acetyl acetate 11.22
    di(2-ethylhexyl) phthalate 6.68
    ethyl propionate 8.91
    nitromethane 59.18
    1,2-diethoxyethane 9.62
    benzonitrile 8.77
    trioctyl phosphate 4.17
    1-bromopropane 4.35
    gamma-valerolactone 88.62
    n-decanol 1.58
    triethyl phosphate 6.96
    4-methyl-2-pentanol 1.57
    propionitrile 6.49
    vinylene carbonate 26.25
    1,1,2-trichlorotrifluoroethane 80.53
    DMS 16.98
    cumene 1.19
    2-octanol 1.58
    2-hexanone 9.34
    octyl acetate 4.82
    limonene 1.9
    1,2-dimethoxyethane 22.73
    ethyl orthosilicate 5.71
    tributyl phosphate 5.35
    diacetone alcohol 17.04
    N,N-dimethylaniline 5.39
    acrylonitrile 11.82
    aniline 7.66
    1,3-propanediol 7.22
    bromobenzene 5.19
    dibromomethane 11.09
    1,1,2,2-tetrachloroethane 41.77
    2-methyl-cyclohexyl acetate 9.19
    tetrabutyl urea 8.24
    diisobutyl methanol 1.7
    2-phenylethanol 8.95
    styrene 2.03
    dioctyl adipate 7.77
    dimethyl sulfate 42.88
    ethyl butyrate 7.94
    methyl lactate 22.02
    butyl lactate 11.64
    diethyl carbonate 6.63
    propanediol butyl ether 13.02
    triethyl orthoformate 7.67
    p-tert-butyltoluene 1.53
    methyl 4-tert-butylbenzoate 14.19
    morpholine 26.0
    tert-butylamine 1.27
    n-dodecanol 1.2
    dimethoxymethane 28.7
    ethylene carbonate 19.16
    cyrene 27.77
    2-ethoxyethyl acetate 16.65
    2-ethylhexyl acetate 7.65
    1,2,4-trichlorobenzene 12.23
    4-methylpyridine 17.38
    dibutyl ether 2.3
    2,6-dimethyl-4-heptanol 1.7
    DEF 19.87
    dimethyl isosorbide 36.55
    tetrachloroethylene 19.04
    eugenol 14.26
    triacetin 17.63
    span 80 14.32
    1,4-butanediol 3.12
    1,1-dichloroethane 11.43
    2-methyl-1-pentanol 3.31
    methyl formate 17.51
    2-methyl-1-butanol 3.28
    n-decane 0.13
    butyronitrile 4.45
    3,7-dimethyl-1-octanol 2.33
    1-chlorooctane 0.86
    1-chlorotetradecane 0.44
    n-nonane 0.1
    undecane 0.11
    tert-butylcyclohexane 0.15
    cyclooctane 0.07
    cyclopentanol 8.51
    tetrahydropyran 10.11
    tert-amyl methyl ether 3.49
    2,5,8-trioxanonane 27.78
    1-hexene 0.68
    2-isopropoxyethanol 10.82
    2,2,2-trifluoroethanol 12.99
    methyl butyrate 12.04

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction